SCHEMBL757447

SCHEMBL757447

C=CCc1cccc(C(=O)OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
CYP4F2 P78329 2/20 0.62
CYP4A11 Q02928 2/20 0.62
SLC7A5 Q01650 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP3A4 P08684 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MRGPRX4 Q96LA9 2/20 0.51
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.49
FOLH1 Q04609 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL697890 0.87 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5MEN1
SCHEMBL20391633 0.86 LOXL2 (0.52) LOXL2CYP4F2CYP4A11SLC7A5MEN1
SCHEMBL3293258 0.84 CYP4F2 (0.61) CYP4F2CYP4A11MEN1KMT2ACYP3A4
SCHEMBL14415228 0.84 SLC7A5 (0.59) LOXL2CYP4F2CYP4A11SLC7A5MEN1
SCHEMBL4878614 0.84 CYP4F2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5MEN1
SCHEMBL28813161 0.84 MEN1 (0.48) LOXL2CYP4F2CYP4A11SLC7A5MEN1
SCHEMBL10390331 0.83 CA12 (0.47) LOXL2CYP4F2CYP4A11SLC7A5MEN1
SCHEMBL4682498 0.83 LOXL2 (0.67) LOXL2CYP4F2CYP4A11SLC7A5MEN1
SCHEMBL6660186 0.83 CYP3A4 (0.51) LOXL2CYP4F2CYP4A11SLC7A5MEN1
SCHEMBL30930044 0.82 CYP4A11 (0.68) LOXL2CYP4F2CYP4A11SLC7A5MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
EP-1910364-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-04-16 EP disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 LOXL2 4165/4885CYP4F2 2580/4885CYP4A11 246/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.